2-(Bromomethyl)-3-nitrobenzoic acid

Base Information

• Chemical Name: 2-(Bromomethyl)-3-nitrobenzoic acid
• CAS No.: 632340-56-8
• Molecular Formula: C₈H₆BrNO₄
• Molecular Weight: 260.044
• DSSTox Substance ID: DTXSID30448512
• Wikidata: Q82267535
• Mol file: 632340-56-8.mol

Synonyms:632340-56-8;2-(BROMOMETHYL)-3-NITROBENZOIC ACID;Benzoic acid, 2-(bromomethyl)-3-nitro-;SCHEMBL1398972;DTXSID30448512;2-bromomethyl-3-nitrobenzoic acid;WNTCNOMUJRQWGP-UHFFFAOYSA-N;2-bromomethyl-3-nitro-benzoic acid;Benzoicacid,2-(bromomethyl)-3-nitro-;Benzoic acid,2-(bromomethyl)-3-nitro-;EN300-143743

Chemical Property of 2-(Bromomethyl)-3-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 209-211 °C
• Boiling Point: 381.088°C at 760 mmHg
• PKA: 2.86±0.15(Predicted)
• Flash Point: 184.276°C
• PSA: 83.12000
• Density: 1.815g/cm³
• LogP: 2.71110
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.94802
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

2-(BROMOMETHYL)-3-NITRO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])CBr)C(=O)O

Technology Process of 2-(Bromomethyl)-3-nitrobenzoic acid

There total 1 articles about 2-(Bromomethyl)-3-nitrobenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 53.0%

2-methyl-3-nitrobenzic acid (1975-50-4) → 2-bromomethyl-3-nitro-benzoic acid (632340-56-8)

Guidance literature:

With N-Bromosuccinimide; azobisisobutyronitrile; In tetrachloromethane; for 6h; Heating;

DOI:10.1081/SCC-120024003

upstream raw materials:

2-methyl-3-nitrobenzic acid

Refernces